methyl 2-acetamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: methyl 2-acetamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 2-acetamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-acetamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-acetamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-acetamido-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C13H19N2O3S+ MolecularWeight: 283.36656

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C

InChI

InChI=1S/C13H18N2O3S/c1-4-15-6-5-9-10(7-15)19-12(14-8(2)16)11(9)13(17)18-3/h4-7H2,1-3H3,(H,14,16)/p+1